5-Fluoro-1-(2'-L-menthyloxycarbonyl-1'-3'-oxathiolan-5'-yl)-cytosine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H25FN2O5S
Molecular Weight	400.465
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Fluoro-1-(2'-L-menthyloxycarbonyl-1'-3'-oxathiolan-5'-yl)-cytosine

Structure Search

SMILES

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]2O[C@@H](CS2)N3C=C(F)C(=O)NC3=O

InChI

InChIKey=SSEOQONVFXWSGU-KKVJTYSWSA-N

InChI=1S/C18H25FN2O5S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)21-7-12(19)15(22)20-18(21)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H,20,22,24)/t10-,11+,13-,14+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H25FN2O5S
Molecular Weight	400.465
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:33:53 GMT 2025` Edited by `admin` on `Wed Apr 02 17:33:53 GMT 2025`
Record UNII	LN82FL3X4M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Fluoro-1-(2'-L-menthyloxycarbonyl-1'-3'-oxathiolan-5'-yl)-cytosine

Systematic Name

English

(1S,2R,4R)-1-Isopropyl-2,4-dimethylcyclohexyl-emtricitabine Uracil Carboxylate

Preferred Name

English

1,3-Oxathiolane-2-carboxylic acid, 5-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5S)-

Systematic Name

English

(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate

Systematic Name

English

Code System Code Type Description

CAS

1422361-25-8

Created by admin on Wed Apr 02 17:33:53 GMT 2025 , Edited by admin on Wed Apr 02 17:33:53 GMT 2025

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PUBCHEM

29982520

Created by admin on Wed Apr 02 17:33:53 GMT 2025 , Edited by admin on Wed Apr 02 17:33:53 GMT 2025

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FDA UNII

LN82FL3X4M

Created by admin on Wed Apr 02 17:33:53 GMT 2025 , Edited by admin on Wed Apr 02 17:33:53 GMT 2025

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